9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene

C105H70 — CID 163426838

IUPAC9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1
InChIInChI=1S/C36H22.C35H26.C34H22/c1-2-9-23(10-3-1)34-27-13-4-6-15-29(27)36(30-16-7-5-14-28(30)34)32-22-20-26-18-17-24-11-8-12-25-19-21-31(32)35(26)33(24)25;1-35(2)31-19-11-10-14-25(31)30-22-24(20-21-32(30)35)34-28-17-8-6-15-26(28)33(23-12-4-3-5-13-23)27-16-7-9-18-29(27)34;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32/h1-22H;3-22H,1-2H3;1-22H/i;;1D,2D,3D,12D,13D
InChIKeyANGBCKHUUKEEJJ-TZKJCLTKSA-N
MW1336.75 g/mol
LogP29.49
Rot. Bonds6

About 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene

9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene (PubChem CID 163426838) has the molecular formula C105H70 and a molecular weight of 1336.75 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene
PubChem CID163426838
Molecular FormulaC105H70
Molecular Weight1336.75 g/mol
Exact Mass1335.58
IUPAC Name9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1
InChIInChI=1S/C36H22.C35H26.C34H22/c1-2-9-23(10-3-1)34-27-13-4-6-15-29(27)36(30-16-7-5-14-28(30)34)32-22-20-26-18-17-24-11-8-12-25-19-21-31(32)35(26)33(24)25;1-35(2)31-19-11-10-14-25(31)30-22-24(20-21-32(30)35)34-28-17-8-6-15-26(28)33(23-12-4-3-5-13-23)27-16-7-9-18-29(27)34;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32/h1-22H;3-22H,1-2H3;1-22H/i;;1D,2D,3D,12D,13D
InChIKeyANGBCKHUUKEEJJ-TZKJCLTKSA-N
XLogP29.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001336.75
LogP ≤ 529.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9,10-bis(9,9-dimethylfluoren-2-yl)-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-phenylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 158699412
9,10-bis(9,9-dimethylfluoren-2-yl)anthracene;9,10-bis(4-phenylphenyl)anthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenanthren-9-yl-10-phenylanthracene;1-(10-phenylanthracen-9-yl)pyrene;2-(10-phenylanthracen-9-yl)triphenylene;9-phenyl-10-(4-phenylphenyl)anthracene
CID 164965575
2-(9,9-dimethylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-1-ylanthracene;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;9,10-dinaphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9,10-dinaphthalen-1-yl-2-phenanthren-9-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 157305530
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-6-phenanthren-9-ylpyrene
CID 171415196
10-(9,9-dimethylfluoren-2-yl)-2,9-diphenylanthracene;3-[10-(9,9-dimethylfluoren-2-yl)-2-phenylanthracen-9-yl]fluoranthene;3-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]fluoranthene;1-(10-fluoranthen-3-yl-2-phenylanthracen-9-yl)pyrene;1-(10-fluoranthen-3-yl-3-phenylanthracen-9-yl)pyrene
CID 158578384
2-(10-benzo[a]anthracen-5-ylanthracen-9-yl)-6,6,12,12-tetramethylindeno[1,2-b]fluorene;5-(10-naphthalen-1-ylanthracen-9-yl)benzo[a]anthracene;bis(5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene);5-(10-phenylanthracen-9-yl)benzo[a]anthracene;5-(10-pyren-1-ylanthracen-9-yl)benzo[a]anthracene
CID 160542910
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;2,9-diphenyl-10-(4-phenylphenyl)anthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9-phenyl-10-(4-phenylphenyl)anthracene
CID 158494678
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;1,2,3,4,5,6,7,8-octadeuterio-9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;1,2,3,4-tetradeuterio-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 167546342
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene
CID 158706216
2,6-bis(2,3,4,5,6-pentadeuteriophenyl)-9,10-bis[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracene;2,7-bis(2,3,4,5,6-pentadeuteriophenyl)-9,10-diphenylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[3-(3,5-dimethylphenyl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-[3-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(2,3,4,5,6-pentadeuteriophenyl)anthracene
CID 162092928
10,10,12,12-tetramethyl-7-[6-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]indeno[2,1-b]fluorene
CID 169035287
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-naphthalen-2-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-(10-phenanthren-9-ylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-(10-phenylanthracen-9-yl)anthracene;9,10-dinaphthalen-1-yl-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracene;9,10-dinaphthalen-1-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 159441922

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene?
The IUPAC name of 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene (CID 163426838) is 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene?
The canonical SMILES for 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc21.[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)c([2H])c1[2H].c1ccc(-c2c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1.
What is the InChIKey of 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene?
The InChIKey is ANGBCKHUUKEEJJ-TZKJCLTKSA-N. The full InChI is InChI=1S/C36H22.C35H26.C34H22/c1-2-9-23(10-3-1)34-27-13-4-6-15-29(27)36(30-16-7-5-14-28(30)34)32-22-20-26-18-17-24-11-8-12-25-19-21-31(32)35(26)33(24)25;1-35(2)31-19-11-10-14-25(31)30-22-24(20-21-32(30)35)34-28-17-8-6-15-26(28)33(23-12-4-3-5-13-23)27-16-7-9-18-29(27)34;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32/h1-22H;3-22H,1-2H3;1-22H/i;;1D,2D,3D,12D,13D.
What are the key properties of 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene?
9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene has a molecular weight of 1336.75 g/mol, XLogP of 29.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-3-yl)-10-phenylanthracene;9-(2,3,4,5,6-pentadeuteriophenyl)-10-phenanthren-9-ylanthracene;1-(10-phenylanthracen-9-yl)pyrene is sourced from PubChem (CID 163426838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).